SCHEMBL29633847

SCHEMBL29633847

COc1ccc(CC(C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.42
LDHA P00338 1/20 0.42
ACHE P22303 1/20 0.41
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM2 P08172 1/20 0.39
MMP1 P03956 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
MAPK10 P53779 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 3/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25358230 0.92 LDHA (0.48) FABP5LDHAACHEMMP1LMNA
SCHEMBL25358236 0.92 LDHA (0.48) FABP5LDHAACHEMMP1LMNA
SCHEMBL29633794 0.91 CHRM5 (0.42) FABP5LDHAACHECHRM5CHRM1
SCHEMBL30055883 0.90 CYP2D6 (0.38) FABP5ITGB3ITGA2B
SCHEMBL25657523 0.90 CYP2D6 (0.38) FABP5ITGB3ITGA2B
SCHEMBL24633858 0.90 CYP2D6 (0.38) FABP5ITGB3ITGA2B
SCHEMBL29633786 0.89 FABP5 (0.38) FABP5LDHAACHECHRM5CHRM1
SCHEMBL29633639 0.89 FABP5 (0.39) FABP5ITGB3ITGA2B
SCHEMBL26761372 0.89 ITGB3 (0.39) FABP5CHRM5CHRM1CHRM3CHRM2
SCHEMBL21994734 0.88 FABP5 (0.40) FABP5ITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR FABP5 608/4885LDHA 901/4885ACHE 870/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR FABP5 608/4885LDHA 901/4885ACHE 870/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR FABP5 608/4885LDHA 901/4885ACHE 870/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.